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  • Science Roadmaps
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    • Bespoke Optimization
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      • Virtual Sites Phase I
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      • NAGL2 Neural Network Charge Model Phase 1
      • Transition Metal Forcefield Phase 1
        • Transition Metal Forcefield Approach 1: Initial plan
          • Transition Metal Oxidation State and Geometry Correction
          • To QCA-Dataset-Submission or Not to QCA-Dataset-Submission w/ TM
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      • Evaluator on Kubernetes
      • Untitled folder (4)
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  • Electrostatics refitting plan for Rosemary
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